2-(3-fluoropropylamino)-N,N-dimethylacetamide

C7H15FN2O — CID 45088731

IUPAC2-(3-fluoropropylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCCF
InChIInChI=1S/C7H15FN2O/c1-10(2)7(11)6-9-5-3-4-8/h9H,3-6H2,1-2H3
InChIKeyDWLUXCXAAKDMOP-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.02
Rot. Bonds5

About 2-(3-fluoropropylamino)-N,N-dimethylacetamide

2-(3-fluoropropylamino)-N,N-dimethylacetamide (PubChem CID 45088731) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-fluoropropylamino)-N,N-dimethylacetamide
PubChem CID45088731
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name2-(3-fluoropropylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCCF
InChIInChI=1S/C7H15FN2O/c1-10(2)7(11)6-9-5-3-4-8/h9H,3-6H2,1-2H3
InChIKeyDWLUXCXAAKDMOP-UHFFFAOYSA-N
XLogP0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-fluoropropylamino)-N,N-dimethylacetamide (CID 45088731) is 2-(3-fluoropropylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-fluoropropylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-fluoropropylamino)-N,N-dimethylacetamide is CN(C)C(=O)CNCCCF.
What is the InChIKey of 2-(3-fluoropropylamino)-N,N-dimethylacetamide?
The InChIKey is DWLUXCXAAKDMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-10(2)7(11)6-9-5-3-4-8/h9H,3-6H2,1-2H3.
What are the key properties of 2-(3-fluoropropylamino)-N,N-dimethylacetamide?
2-(3-fluoropropylamino)-N,N-dimethylacetamide has a molecular weight of 162.21 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 45088731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).